Information card for entry 7248431

Structure parameters

• Formula: C26 H23 Cl3 O7
• Calculated formula: C26 H23 Cl3 O7
• SMILES: ClC(Cl)Cl.O(c1ccc(cc1)c1ccc2OC(=C(O)C(=O)c2c1)c1c(OC)cc(OC)cc1OC)C
• Title of publication: Synthesis and study of antibiofilm and antivirulence properties of flavonol analogues generated by palladium catalyzed ligand free Suzuki–Miyaura coupling against Pseudomonas aeruginosa PAO1
• Authors of publication: Benny, Anjitha Theres; Thamim, Masthan; Srivastava, Prakhar; Suresh, Sindoora; Thirumoorthy, Krishnan; Rangasamy, Loganathan; S., Karthikeyan; Easwaran, Nalini; Radhakrishnan, Ethiraj Kannatt
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 12278 - 12293
• a: 8.8256 ± 0.0016 Å
• b: 12.078 ± 0.002 Å
• c: 13.533 ± 0.002 Å
• α: 105.526 ± 0.006°
• β: 98.35 ± 0.006°
• γ: 106.79 ± 0.006°
• Cell volume: 1291.4 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No